N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane

C24H38N4OS — CID 144812540

IUPACN-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane
SMILESC/C(=N/N(C)C)c1ccc(S(=O)c2ccc(/C(C)=N\N(C)C)cc2)cc1.CC.CC
InChIInChI=1S/C20H26N4OS.2C2H6/c1-15(21-23(3)4)17-7-11-19(12-8-17)26(25)20-13-9-18(10-14-20)16(2)22-24(5)6;2*1-2/h7-14H,1-6H3;2*1-2H3/b21-15-,22-16-;;
InChIKeyQZIUYRCCRQCTBQ-PAAHXCEKSA-N
MW430.66 g/mol
LogP5.48
Rot. Bonds6

About N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane

N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane (PubChem CID 144812540) has the molecular formula C24H38N4OS and a molecular weight of 430.66 g/mol. Its IUPAC name is N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane.

Molecular Properties

Compound NameN-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane
PubChem CID144812540
Molecular FormulaC24H38N4OS
Molecular Weight430.66 g/mol
Exact Mass430.28
IUPAC NameN-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane
SMILESC/C(=N/N(C)C)c1ccc(S(=O)c2ccc(/C(C)=N\N(C)C)cc2)cc1.CC.CC
InChIInChI=1S/C20H26N4OS.2C2H6/c1-15(21-23(3)4)17-7-11-19(12-8-17)26(25)20-13-9-18(10-14-20)16(2)22-24(5)6;2*1-2/h7-14H,1-6H3;2*1-2H3/b21-15-,22-16-;;
InChIKeyQZIUYRCCRQCTBQ-PAAHXCEKSA-N
XLogP5.48
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 172971736
N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine
CID 172971426
N-[(E)-1-(5,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine
CID 172941167
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
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CID 172956096
N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide
CID 155312291
[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone
CID 11450048
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfinylphenyl]-N-(4-tert-butylphenyl)aniline
CID 134238660
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]benzenesulfinic acid
CID 166990725
sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol
CID 173421371
4-(dimethylcarbamoyl)benzenesulfinate
CID 69119645

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane?
The IUPAC name of N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane (CID 144812540) is N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane.
What is the SMILES notation for N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane?
The canonical SMILES for N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane is C/C(=N/N(C)C)c1ccc(S(=O)c2ccc(/C(C)=N\N(C)C)cc2)cc1.CC.CC.
What is the InChIKey of N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane?
The InChIKey is QZIUYRCCRQCTBQ-PAAHXCEKSA-N. The full InChI is InChI=1S/C20H26N4OS.2C2H6/c1-15(21-23(3)4)17-7-11-19(12-8-17)26(25)20-13-9-18(10-14-20)16(2)22-24(5)6;2*1-2/h7-14H,1-6H3;2*1-2H3/b21-15-,22-16-;;.
What are the key properties of N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane?
N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane has a molecular weight of 430.66 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane is sourced from PubChem (CID 144812540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).